Name: Name:2-[2-(methanesulfonylmethyl)-1H-1,3-benzodiazol-1-yl]acetic acid
Brand: Angene
SKU: AG019PHI
Rating: 90 (10 reviews)

2-[2-(methanesulfonylmethyl)-1H-1,3-benzodiazol-1-yl]acetic acid

CAS No.:

875163-37-4

Catalog Number:

AG019PHI

Molecular Formula:

C11H12N2O4S

Molecular Weight:

268.2890

Catalog Number:

AG019PHI

Chemical Name:

2-[2-(methanesulfonylmethyl)-1H-1,3-benzodiazol-1-yl]acetic acid

CAS Number:

875163-37-4

Molecular Formula:

C11H12N2O4S

Molecular Weight:

268.2890

MDL Number:

MFCD28155335

IUPAC Name:

2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetic acid

InChI:

InChI=1S/C11H12N2O4S/c1-18(16,17)7-10-12-8-4-2-3-5-9(8)13(10)6-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)

InChI Key:

IRINSPQIWSZSOW-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1c(nc2c1cccc2)CS(=O)(=O)C

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.287g/mol

Monoisotopic Mass:

268.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3